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C₅H₂Cl₃NOCAS 6515-38-4198.43 g/mol

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Aryl halide Phenol

Properties

Molecular formula: C₅H₂Cl₃NO
Molar mass: 198.43 g/mol
Exact mass: 196.9202 Da
Melting point: 174–175 °C
logP: 2.75Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed56.7% of notifiers
H318 Causes serious eye damage55.9% of notifiers
H400 Very toxic to aquatic life65.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects65.4% of notifiers
H411 Toxic to aquatic life with long lasting effects34.6% of notifiers

Aggregated from 127 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, P501

Identifiers

CAS number

6515-38-4

SMILES

Oc1nc(Cl)c(Cl)cc1Cl

InChIKey

WCYYAQFQZQEUEN-UHFFFAOYSA-N

InChI

InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

2(1H)-Pyridinone, 3,5,6-trichloro-
2(1H)-Pyridone, 3,5,6-trichloro-
2-Pyridinol, 3,5,6-trichloro-
3,5,6-Trichloro-2(1H)-pyridinone
2-Hydroxy-3,5,6-trichloropyridine
3,5,6-Trichloro-2-hydroxypyridine
3,5,6-Trichloro-2-pyridinol
3,5,6-Trichloropyridine-2-ol
2,3,5-Trichloro-6-hydroxypyridine
TCP
2-Hydroxyl-3,5,6-trichloropyridine
3,5,6-Trichloro-1H-pyridin-2-one

Work with Tcpy

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium 3,5,6-trichloro-2-pyridinol37439-34-2Salt

Similar compounds

2,3,5,6-Tetrachloropyridine2402-79-164 % similar 2,3-Dichloro-5-hydroxypyridine110860-92-943 % similar 5-Chlorouracil1820-81-143 % similar 3,5-Dichloro-2(1H)-pyridinone5437-33-243 % similar Triclopyr55335-06-342 % similar 2,5,6-Trichloronicotinonitrile40381-92-841 % similar (5,6-Dichloropyridin-3-yl)methanol54127-30-939 % similar 4,6-Dichlororesorcinol137-19-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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